Thermodynamic modeling of the Cr–Pt binary system using the cluster/site approximation coupling with first-principles energetics calculation
暂无分享,去创建一个
Y. Chang | D. Morgan | J. Zhu | Ying Yang | Chuan Zhang | Jun Zhu | F. Zhang | A. Bengtson | Y. Yang | Y. Chang
[1] D. Morgan,et al. Modeling of phase stability of the fcc phases in the Ni–Ir–Al system using the cluster/site approximation method coupling with first-principles calculations , 2008 .
[2] M. Ohno,et al. Interface between quantum-mechanical-based approaches, experiments, and CALPHAD methodology , 2007 .
[3] C. Paduani,et al. A first-principles study of Cr impurities in iron , 2006 .
[4] B. Gleeson,et al. A combined first-principles/CALPHAD modeling of the Al-Ir system , 2006 .
[5] W. A. Oates,et al. Application of the cluster/site approximation to fcc phases in the Ni–Al–Cr–Re system , 2005 .
[6] W. A. Oates,et al. Application of the cluster/site approximation to the calculation of multicomponent alloy phase diagrams , 2005 .
[7] W. A. Oates,et al. Application of the cluster-site approximation (CSA) model to the f.c.c. phase in the Ni–Al system , 2003 .
[8] Yong Du,et al. Experimental investigation and thermodynamic description of the Cr‐Si‐Ti system , 2002 .
[9] K. Ishida,et al. Thermodynamic calculations of phase equilibria of Co-Cr-Pt ternary system and magnetically induced phase separation in the FCC and HCP phases , 2001 .
[10] M. Hillert. The compound energy formalism , 2001 .
[11] W. A. Oates,et al. IMPROVED CLUSTER-SITE APPROXIMATION FOR THE ENTROPY OF MIXING IN MULTICOMPONENT SOLID SOLUTIONS , 1999 .
[12] G. Kresse,et al. From ultrasoft pseudopotentials to the projector augmented-wave method , 1999 .
[13] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.
[14] G. Kresse,et al. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set , 1996 .
[15] Blöchl,et al. Projector augmented-wave method. , 1994, Physical review. B, Condensed matter.
[16] A. Dinsdale. SGTE data for pure elements , 1991 .
[17] M. Venkatraman,et al. The Cr-Pt (Chromium-Platinum) system , 1990 .
[18] H. Monkhorst,et al. SPECIAL POINTS FOR BRILLOUIN-ZONE INTEGRATIONS , 1976 .
[19] M. Hillert,et al. The Regular Solution Model for Stoichiometric Phases and Ionic Melts. , 1970 .
[20] W. Kohn,et al. Self-Consistent Equations Including Exchange and Correlation Effects , 1965 .
[21] P. Hohenberg,et al. Inhomogeneous Electron Gas , 1964 .
[22] Yin-yuan Li. Quasi-Chemical Method in the Statistical Theory of Regular Mixtures , 1949 .
[23] Yin-yuan Li. Quasi‐Chemical Theory of Order for the Copper Gold Alloy System , 1949 .
[24] O. Redlich,et al. Algebraic Representation of Thermodynamic Properties and the Classification of Solutions , 1948 .
[25] C. N. Yang. A Generalization of the Quasi‐Chemical Method in the Statistical Theory of Superlattices , 1945 .
[26] L. Müller. Bestimmung der Schmelzpunkte von Platinlegierungen , 1930 .